Search filters

List of works by Antanas Vaitkus

A workflow for deriving chemical entities from crystallographic data and its application to the Crystallography Open Database

scientific article published on 19 December 2023

AceDRG: a stereochemical description generator for ligands

scientific article

COD::CIF::Parser: an error-correcting CIF parser for the Perl language

scientific article

Computing stoichiometric molecular composition from crystal structures

scientific article

OPTIMADE, an API for exchanging materials data

scientific article published on 12 August 2021

Raman Open Database: first interconnected Raman-X-ray diffraction open-access resource for material identification.

scientific article published on 28 May 2019

Using SMILES strings for the description of chemical connectivity in the Crystallography Open Database.

scientific article

Validation and extraction of molecular-geometry information from small-molecule databases

scientific article published on February 2017

Validation of the Crystallography Open Database using the Crystallographic Information Framework

scientific article published on 14 February 2021

Paulina is supported by:

About Paulina

Help